1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

C16H24FN3O2 — CID 3723924

IUPAC1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)C(=O)N(CCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C16H24FN3O2/c1-18(2)16(21)20(8-7-19-9-11-22-12-10-19)13-14-5-3-4-6-15(14)17/h3-6H,7-13H2,1-2H3
InChIKeyFBVMBCYJCDOREX-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.64
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (PubChem CID 3723924) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
PubChem CID3723924
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)C(=O)N(CCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C16H24FN3O2/c1-18(2)16(21)20(8-7-19-9-11-22-12-10-19)13-14-5-3-4-6-15(14)17/h3-6H,7-13H2,1-2H3
InChIKeyFBVMBCYJCDOREX-UHFFFAOYSA-N
XLogP1.64
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (CID 3723924) is 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is CN(C)C(=O)N(CCN1CCOCC1)Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is FBVMBCYJCDOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-18(2)16(21)20(8-7-19-9-11-22-12-10-19)13-14-5-3-4-6-15(14)17/h3-6H,7-13H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 309.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 3723924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).